benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate

C20H23N3O2 — CID 163321248

IUPACbenzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CCc3cccnc3N2)CC1
InChIInChI=1S/C20H23N3O2/c24-19(25-15-16-5-2-1-3-6-16)23-13-10-20(11-14-23)9-8-17-7-4-12-21-18(17)22-20/h1-7,12H,8-11,13-15H2,(H,21,22)
InChIKeyVCWBKOXUVBTWDV-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.61
Rot. Bonds2

About benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate

benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate (PubChem CID 163321248) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namebenzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate
PubChem CID163321248
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Namebenzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC2(CCc3cccnc3N2)CC1
InChIInChI=1S/C20H23N3O2/c24-19(25-15-16-5-2-1-3-6-16)23-13-10-20(11-14-23)9-8-17-7-4-12-21-18(17)22-20/h1-7,12H,8-11,13-15H2,(H,21,22)
InChIKeyVCWBKOXUVBTWDV-UHFFFAOYSA-N
XLogP3.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl (4R)-2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 97169065
benzyl 2-oxo-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 71649492
benzyl 4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carboxylate
CID 12016071
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl (3R)-1-oxa-6-azaspiro[2.4]heptane-6-carboxylate
CID 97169066
benzyl 2-oxo-3-pyridin-2-yl-1,4,7-triazaspiro[4.4]non-3-ene-7-carboxylate
CID 134799366
1-O-benzyl 3-O-methyl 3-methoxypyrrolidine-1,3-dicarboxylate
CID 58371984
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416

Frequently Asked Questions

What is the IUPAC name of benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate (CID 163321248) is benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate is O=C(OCc1ccccc1)N1CCC2(CCc3cccnc3N2)CC1.
What is the InChIKey of benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate?
The InChIKey is VCWBKOXUVBTWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19(25-15-16-5-2-1-3-6-16)23-13-10-20(11-14-23)9-8-17-7-4-12-21-18(17)22-20/h1-7,12H,8-11,13-15H2,(H,21,22).
What are the key properties of benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate?
benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl spiro[3,4-dihydro-1H-1,8-naphthyridine-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 163321248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).